About CID 10781951
CID 10781951 (PubChem CID 10781951) has the molecular formula C18H28SiTi+2
and a molecular weight of 320.38 g/mol.
Molecular Properties
| Compound Name | CID 10781951 |
|---|
| PubChem CID | 10781951 |
|---|
| Molecular Formula | C18H28SiTi+2 |
|---|
| Molecular Weight | 320.38 g/mol |
|---|
| Exact Mass | 320.14 |
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| IUPAC Name | — |
|---|
| SMILES | [CH2-][Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[H][C-]=C(C)C.[Ti+4] |
|---|
| InChI | InChI=1S/2C5H5.C4H11Si.C4H7.Ti/c2*1-2-4-5-3-1;1-5(2,3)4;1-4(2)3;/h2*1-5H;1H2,2-4H3;1H,2-3H3;/q;;2*-1;+4 |
|---|
| InChIKey | HZIUOBAGIDOEDR-UHFFFAOYSA-N |
|---|
| XLogP | 5.12 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 20 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 320.38 |
| LogP ≤ 5 | 5.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 10781951?
The IUPAC name of CID 10781951 (CID 10781951) is not available.
What is the SMILES notation for CID 10781951?
The canonical SMILES for CID 10781951 is [CH2-][Si](C)(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[H][C-]=C(C)C.[Ti+4].
What is the InChIKey of CID 10781951?
The InChIKey is HZIUOBAGIDOEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C4H11Si.C4H7.Ti/c2*1-2-4-5-3-1;1-5(2,3)4;1-4(2)3;/h2*1-5H;1H2,2-4H3;1H,2-3H3;/q;;2*-1;+4.
What are the key properties of CID 10781951?
CID 10781951 has a molecular weight of 320.38 g/mol, XLogP of 5.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10781951 is sourced from PubChem (CID 10781951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).